Geometry & MOs

Info

ID:	142816
PubChem CID:	53095969
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	387.186815
ΔH_f, kcal/mol:	-113.51
Dipole, Da:	3.09
IP(EA), eV:	-8.71(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylazepane

Drug info:

PubChemData

Smile

CCN1C=C(C(=C1CC(=O)N2CCCC3=CC=CC=C32)C(=O)O)C

DOS

IR

Vibrations